N-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

C18H22N2O4S2 — CID 2402591

IUPACN-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCN(c1ccc(OCC(=O)NC2CCCC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H22N2O4S2/c1-20(26(22,23)18-7-4-12-25-18)15-8-10-16(11-9-15)24-13-17(21)19-14-5-2-3-6-14/h4,7-12,14H,2-3,5-6,13H2,1H3,(H,19,21)
InChIKeyTVQLKFZOPOUFFX-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.01
Rot. Bonds7

About N-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

N-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (PubChem CID 2402591) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
PubChem CID2402591
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCN(c1ccc(OCC(=O)NC2CCCC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H22N2O4S2/c1-20(26(22,23)18-7-4-12-25-18)15-8-10-16(11-9-15)24-13-17(21)19-14-5-2-3-6-14/h4,7-12,14H,2-3,5-6,13H2,1H3,(H,19,21)
InChIKeyTVQLKFZOPOUFFX-UHFFFAOYSA-N
XLogP3.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,5-Dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 4783113
[2-[4-(Difluoromethoxy)anilino]-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 16275216
N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810603
N-(4-ethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1084054
N-cyclohexyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 2089888
N-[2-(methylthio)phenyl]-2-[4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide
CID 2208758
N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiophene-2-sulfonamide
CID 2355897
[2-(4-Methoxyanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2369535
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
CID 2372951
1-[2-[4-[Methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide
CID 2373159
N-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 2437957
N~1~-(4-methoxyphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3241065

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (CID 2402591) is N-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is CN(c1ccc(OCC(=O)NC2CCCC2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is TVQLKFZOPOUFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-20(26(22,23)18-7-4-12-25-18)15-8-10-16(11-9-15)24-13-17(21)19-14-5-2-3-6-14/h4,7-12,14H,2-3,5-6,13H2,1H3,(H,19,21).
What are the key properties of N-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
N-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 394.52 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 2402591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).